HMDB0001000 RDKit 3D dUDP 38 39 0 0 0 0 0 0 0 0999 V2000 5.7898 0.1755 3.3182 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 0.2102 2.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 -0.7168 2.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9487 -0.6536 1.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.3215 0.4142 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0397 0.3775 -0.6304 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0209 -0.9401 -1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5166 -1.1981 -1.5020 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1872 -1.6739 -2.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0287 0.1905 -1.2439 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4976 0.1566 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9271 1.4131 -0.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5556 1.4336 -0.0883 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3953 1.5226 -1.3368 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8874 2.8094 0.8374 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9729 0.0846 0.8407 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3224 -0.7116 0.2508 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.1799 0.1876 -0.6252 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2539 -1.2201 1.5812 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9379 -2.0713 -0.6573 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 0.5906 -0.1557 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0151 1.2165 0.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0704 2.1132 -0.3817 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9551 1.1725 1.4644 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 -1.4823 3.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -1.3876 1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2697 1.2399 -1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4085 -0.7530 -2.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5324 -1.7444 -0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2014 -1.9194 -0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0307 -2.6361 -2.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 0.7809 -2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0402 -0.0742 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 -0.5678 -0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0517 3.1187 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5942 -1.5945 2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0167 -2.3981 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7008 1.8831 1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 13 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 17 20 1 0 10 21 1 0 5 22 1 0 22 23 2 0 22 24 1 0 24 2 1 0 21 6 1 0 3 25 1 0 4 26 1 0 6 27 1 6 7 28 1 0 7 29 1 0 8 30 1 1 9 31 1 0 10 32 1 6 11 33 1 0 11 34 1 0 15 35 1 0 19 36 1 0 20 37 1 0 24 38 1 0 M END